CHEBI:95060 - dinaciclib

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ChEBI Name dinaciclib
ChEBI ID CHEBI:95060
Definition A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine substituted by ethyl, (2S)-2-(2-hydroxyethyl)piperidin-1-yl, and [(1-oxidopyridin-3-yl)methyl]amino groups at positions 3, 5, and 7, respectively. It is a potent pan-cyclin dependent kinase inhibitor that exhibits antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H28N6O2
Net Charge 0
Average Mass 396.495
Monoisotopic Mass 396.22737
InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
InChIKey PIMQWRZWLQKKBJ-SFHVURJKSA-N
SMILES CCC1=C2N=C(C=C(NCC3=C[N+]([O-])=CC=C3)N2N=C1)N1CCCC[C@H]1CCO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dinaciclib (CHEBI:95060) has role antineoplastic agent (CHEBI:35610)
dinaciclib (CHEBI:95060) has role apoptosis inducer (CHEBI:68495)
dinaciclib (CHEBI:95060) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
dinaciclib (CHEBI:95060) is a piperidines (CHEBI:26151)
dinaciclib (CHEBI:95060) is a primary alcohol (CHEBI:15734)
dinaciclib (CHEBI:95060) is a pyrazolopyrimidine (CHEBI:38669)
dinaciclib (CHEBI:95060) is a pyridine N-oxides (CHEBI:38189)
dinaciclib (CHEBI:95060) is a secondary amino compound (CHEBI:50995)
dinaciclib (CHEBI:95060) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
2-[(2S)-1-(3-ethyl-7-{[(1-oxidopyridin-3-yl)methyl]amino}pyrazolo[1,5-a]pyrimidin-5-yl)piperidin-2-yl]ethanol
INNs Sources
dinaciclib WHO MedNet
dinaciclib WHO MedNet
dinaciclib WHO MedNet
dinaciclibum WHO MedNet
Synonyms Sources
(2S)-1-[3-ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-piperidineethanol ChEBI
2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol ChEBI
MK 7965 ChEBI
MK-7965 ChEBI
MK7965 ChEBI
SCH 727965 DrugBank
SCH-727965 DrugBank
SCH727965 ChEBI
Manual Xrefs Databases
1QK PDBeChem
D09604 KEGG DRUG
DB12021 DrugBank
Dinaciclib Wikipedia
LSM-6306 LINCS
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Registry Number Type Source
779353-01-4 CAS Registry Number DrugBank
Citations Waiting for Citations Types Sources
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Last Modified
08 July 2024